(3β,20S)-Pregn-5-Ene-3,20-Diol

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 318.493 g·mol−1
Heat of Formation -579.3 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 422.08 Å 3
Surface Area 332.73 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17s)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 20alpha-dihydropregnenolone
  • 20beta-dihydropregnenolone
  • 5-pregnene-3,20-diol
  • 5-pregnene-3beta,20alpha-diol
  • pregn-5-ene-3,20-diol, (3beta,20s)
CAS Number(s)
  • 901-56-4
InChIKey QAAQQTDJEXMIMF-YZXCLFAISA-N
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